GaAs光电阴极Cs,O吸附研究

任彬; 石峰; 郭晖; 焦岗成; 程宏昌; 王龙; 牛森; 袁渊

doi:10.3788/IRLA201645.0821001

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GaAs光电阴极Cs,O吸附研究

任彬, 石峰, 郭晖, 焦岗成, 程宏昌, 王龙, 牛森, 袁渊

文章导航 > 红外与激光工程 > 2016 > 45(8): 821001-0821001(5)

任彬, 石峰, 郭晖, 焦岗成, 程宏昌, 王龙, 牛森, 袁渊. GaAs光电阴极Cs,O吸附研究[J]. 红外与激光工程, 2016, 45(8): 821001-0821001(5). doi: 10.3788/IRLA201645.0821001

引用本文:

任彬, 石峰, 郭晖, 焦岗成, 程宏昌, 王龙, 牛森, 袁渊. GaAs光电阴极Cs,O吸附研究[J]. 红外与激光工程, 2016, 45(8): 821001-0821001(5). doi: 10.3788/IRLA201645.0821001

Ren Bin, Shi Feng, Guo Hui, Jiao Gangcheng, Cheng Hongchang, Wang Long, Niu Sen, Yuan Yuan. Cs, O adsorption for forming GaAs photocathodes[J]. Infrared and Laser Engineering, 2016, 45(8): 821001-0821001(5). doi: 10.3788/IRLA201645.0821001

Citation:

Ren Bin, Shi Feng, Guo Hui, Jiao Gangcheng, Cheng Hongchang, Wang Long, Niu Sen, Yuan Yuan. Cs, O adsorption for forming GaAs photocathodes[J]. Infrared and Laser Engineering, 2016, 45(8): 821001-0821001(5). doi: 10.3788/IRLA201645.0821001

GaAs光电阴极Cs,O吸附研究

doi: 10.3788/IRLA201645.0821001

任彬^1,2,3,
石峰^1,2,
郭晖^1,2,
焦岗成^1,2,
程宏昌^1,2,
王龙^1,2,
牛森^1,2,
袁渊^1,2

1.
微光夜视技术重点实验室,陕西西安 710065;
2.
北方夜视科技集团股份有限公司,云南昆明 650223;
3.
北京理工大学物理学院,北京 100081

基金项目:

微光夜视技术重点实验室基金（J2011016）

详细信息

作者简介:
任彬(1981-),男,高级工程师,硕士,主要从事外延材料生长方面的研究。Email:robinson_cv@163.com

中图分类号: TN216

Cs, O adsorption for forming GaAs photocathodes

Ren Bin^1,2,3,
Shi Feng^1,2,
Guo Hui^1,2,
Jiao Gangcheng^1,2,
Cheng Hongchang^1,2,
Wang Long^1,2,
Niu Sen^1,2,
Yuan Yuan^1,2

1.
Science and Technology on Low-Light-Level Night Vision Laboratory,Xi'an 710065,China;
2.
North Night Vision Technology Group Co.,Ltd.,Kunming 650223,China;
3.
Department of Physics,Beijing Institute of Technology,Beijing 100081,China

摘要: 提出了基于第一性原理的密度泛函理论框架下的广义梯度近似投影缀加波赝势法，在结构优化的基础上采用平板模型计算了GaAs（110）表面单一吸附0.5 ML Cs元素、单一吸附0.5 ML O元素及0.5 ML Cs、0.5 ML O共吸附系统的特定吸附位、吸附系统总能及吸附系统的电子结构。吸附系统总能的计算结果对比及电子结构图表明：当Cs、O元素吸附量在GaAs（110）表面达到=1 ML时，它们并非各自在表面形成局域畴形态的竞争性共化学吸附，而是将在表面形成混合均匀相的协同共化学吸附。采用偶极子校正进一步计算三种吸附系统的功函数分别是4.423 eV、5.749 eV、4.377 eV，从而得出GaAs光电阴极制备过程中提高并保持光电阴极发射性能的方法及机理。
- GaAs(110) /
- 电子结构 /
- 表面吸附 /
- 功函数
Abstract: Generalized gradient approximation projector augmented wave method based on first-principle in the frame of density functional theory (DFT) were put forward. The slab model of GaAs (110) crystal plane was adapted for calculating adsorption system on basis of the optimization of bulk GaAs structure. Three types of adsorption system including specific adsorption sites, total binding energy, and adsorption electronic structure were taken fully into account with adsorbate quantity of =0.5 monolayer (ML) sole Cs,=0.5 ML sole O, and =1.0 ML Cs, O, respectively. The comparison results of calculated total binding energy and projected maps of electron density show that when adsorbates of Cs, O reach to=1.0 ML, they don't form local domain of competitive chemical adsorption, while they form a compound uniformity phase of cooperative chemical adsorption. Considering electronic dipole correction in the calculation, the work function of the three adsorption systems were 4.423 eV, 5.749 eV, 4.377 eV, the method and mechanism for improving and maintaining photoemission characteristics in GaAs photocathode preparing technology were further obtained.
- GaAs(110) /
- electronic structure /
- surface adsorption /
- work function

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GaAs光电阴极Cs,O吸附研究

doi: 10.3788/IRLA201645.0821001

1. 微光夜视技术重点实验室,陕西西安 710065;

2. 北方夜视科技集团股份有限公司,云南昆明 650223;

3. 北京理工大学物理学院,北京 100081

作者简介:
任彬(1981-),男,高级工程师,硕士,主要从事外延材料生长方面的研究。Email:robinson_cv@163.com

收稿日期: 2015-12-10
修回日期: 2016-01-03
刊出日期: 2016-08-25

基金项目:

微光夜视技术重点实验室基金（J2011016）

中图分类号: TN216

关键词:

摘要: 提出了基于第一性原理的密度泛函理论框架下的广义梯度近似投影缀加波赝势法，在结构优化的基础上采用平板模型计算了GaAs（110）表面单一吸附0.5 ML Cs元素、单一吸附0.5 ML O元素及0.5 ML Cs、0.5 ML O共吸附系统的特定吸附位、吸附系统总能及吸附系统的电子结构。吸附系统总能的计算结果对比及电子结构图表明：当Cs、O元素吸附量在GaAs（110）表面达到=1 ML时，它们并非各自在表面形成局域畴形态的竞争性共化学吸附，而是将在表面形成混合均匀相的协同共化学吸附。采用偶极子校正进一步计算三种吸附系统的功函数分别是4.423 eV、5.749 eV、4.377 eV，从而得出GaAs光电阴极制备过程中提高并保持光电阴极发射性能的方法及机理。

English Abstract

Cs, O adsorption for forming GaAs photocathodes

1. Science and Technology on Low-Light-Level Night Vision Laboratory,Xi'an 710065,China;

2. North Night Vision Technology Group Co.,Ltd.,Kunming 650223,China;

3. Department of Physics,Beijing Institute of Technology,Beijing 100081,China

Received Date: 2015-12-10
Rev Recd Date: 2016-01-03
Publish Date: 2016-08-25

Keywords:

Abstract: Generalized gradient approximation projector augmented wave method based on first-principle in the frame of density functional theory (DFT) were put forward. The slab model of GaAs (110) crystal plane was adapted for calculating adsorption system on basis of the optimization of bulk GaAs structure. Three types of adsorption system including specific adsorption sites, total binding energy, and adsorption electronic structure were taken fully into account with adsorbate quantity of =0.5 monolayer (ML) sole Cs,=0.5 ML sole O, and =1.0 ML Cs, O, respectively. The comparison results of calculated total binding energy and projected maps of electron density show that when adsorbates of Cs, O reach to=1.0 ML, they don't form local domain of competitive chemical adsorption, while they form a compound uniformity phase of cooperative chemical adsorption. Considering electronic dipole correction in the calculation, the work function of the three adsorption systems were 4.423 eV, 5.749 eV, 4.377 eV, the method and mechanism for improving and maintaining photoemission characteristics in GaAs photocathode preparing technology were further obtained.